2-azanyl-3-(4-chloranyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-2-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-chloranyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-2-yl)propanoic acid Openeye Name: 2-amino-3-(4-chloro-5-hydroxy-1-oxido-pyridin-1-ium-2-yl)propanoic acid CAS Name: 2-amino-3-(4-chloro-5-hydroxy-1-oxido-2-pyridin-1-iumyl)propanoic acid IUPAC Name: 2-amino-3-(4-chloro-5-hydroxy-1-oxidopyridin-1-ium-2-yl)propanoic acid Traditional Name: 2-amino-3-(4-chloro-5-hydroxy-1-oxido-pyridin-1-ium-2-yl)propionic acid Formula: C8H9ClN2O4 MolecularWeight: 232.62106

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C[N+](=C1CC(C(=O)O)N)[O-])O)Cl

Isomeric SMILES

C1=C(C(=C[N+](=C1CC(C(=O)O)N)[O-])O)Cl

InChI

InChI=1S/C8H9ClN2O4/c9-5-1-4(2-6(10)8(13)14)11(15)3-7(5)12/h1,3,6,12H,2,10H2,(H,13,14)